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2-Nitrobenzoic acid

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CAS:552-16-9
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CAS:552-16-9
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2-Nitrobenzoic acid Basic information
Product Name:2-Nitrobenzoic acid
Synonyms:RARECHEM AL BO 0202;OTAVA-BB BB0125160260;O-NITROBENZOIC ACID APPROX. 95%;2-nitro-benzoicaci;LABOTEST-BB LT00853998;Benzoic acid, o-nitro-;2-Nitrobenzoic acid, 85-90%;2-Nitrobenzoic acid ,98%
CAS:552-16-9
MF:C7H5NO4
MW:167.12
EINECS:209-004-9
Product Categories:Pharmaceutical Intermediates;Pyridines;Building Blocks;Carbonyl Compounds;Carboxylic Acids;Chemical Synthesis;Organic Building Blocks;carboxylic acid| nitro-compound;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Biochemistry;Reagents for Oligosaccharide Synthesis;C7;Carbonyl Compounds;Carboxylic Acids
Mol File:552-16-9.mol
2-Nitrobenzoic acid Structure
2-Nitrobenzoic acid Chemical Properties
Melting point 146-148 °C(lit.)
Boiling point 295.67°C (rough estimate)
density 1,58 g/cm3
refractive index 1.6280 (estimate)
storage temp. Sealed in dry,Room Temperature
solubility 7.8g/l
pka2.16(at 18℃)
form Fine Powder
Specific Gravity1.58
color Off-white
Water Solubility 6.8 g/L
Merck 14,6588
BRN 1910632
Stability:Stable. Incompatible with strong oxidizing agents, strong bases.
CAS DataBase Reference552-16-9(CAS DataBase Reference)
NIST Chemistry ReferenceBenzoic acid, 2-nitro-(552-16-9)
EPA Substance Registry Systemo-Nitrobenzoic acid (552-16-9)
Safety Information
Hazard Codes Xi,Xn
Risk Statements 36/37/38-68-22
Safety Statements 26-36/37/39
WGK Germany 3
RTECS DH5050000
TSCA Yes
HS Code 29163900
MSDS Information
ProviderLanguage
o-Nitrobenzoic acid English
SigmaAldrich English
ACROS English
ALFA English
2-Nitrobenzoic acid Usage And Synthesis
Chemical Propertiesoff-white powder
UsesNH2-protecting reagent.
Uses2-Nitrobenzoic Acid is used as a reagent in the synthesis of several organic compounds including that of novel triazoles and a tetrazole of escitalopram which act as cholinesterase inhibitors. It is also used in the one pot synthesis of 1,4-disubstituted 1,2,3-triazoles.
DefinitionChEBI: A nitrobenzoic acid carrying the nitro substituent at position 2.
Synthesis Reference(s)The Journal of Organic Chemistry, 56, p. 5924, 1991 DOI: 10.1021/jo00020a040
Tetrahedron Letters, 35, p. 219, 1994 DOI: 10.1016/S0040-4039(00)76515-4
General DescriptionYellowish white crystals with an intensely sweet taste.
Air & Water ReactionsInsoluble in water.
Reactivity Profile2-Nitrobenzoic acid is incompatible with strong oxidizing agents. Also incompatible with strong bases. May react with cyanides .
Health HazardACUTE/CHRONIC HAZARDS: When 2-Nitrobenzoic acid is heated to decomposition it emits very toxic fumes.
Fire HazardFlash point data concerning 2-Nitrobenzoic acid are not available, however, 2-Nitrobenzoic acid is probably combustible.
Purification MethodsCrystallise the acid from *benzene (twice), n-butyl ether (twice), then water (twice). Dry and store it in a vacuum desiccator. [Le Noble & Wheland J Am Chem Soc 80 5397 1958.] It has also been crystallised from EtOH/H2O. The amide has m 176.5o (from H2O). [Beilstein 9 III 1466, 9 IV 1046.]
Tag:2-Nitrobenzoic acid(552-16-9) Related Product Information
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